(5E)-N,4-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylidene]heptan-2-amine

C13H24N4 — CID 143782091

IUPAC(5E)-N,4-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylidene]heptan-2-amine
SMILESCC/C(=C\c1nncn1C)C(C)CC(C)NC
InChIInChI=1S/C13H24N4/c1-6-12(10(2)7-11(3)14-4)8-13-16-15-9-17(13)5/h8-11,14H,6-7H2,1-5H3/b12-8+
InChIKeySSKAZXTXMNMIFN-XYOKQWHBSA-N
MW236.36 g/mol
LogP2.24
Rot. Bonds6

About (5E)-N,4-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylidene]heptan-2-amine

(5E)-N,4-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylidene]heptan-2-amine (PubChem CID 143782091) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is (5E)-N,4-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylidene]heptan-2-amine.

Molecular Properties

Compound Name(5E)-N,4-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylidene]heptan-2-amine
PubChem CID143782091
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name(5E)-N,4-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylidene]heptan-2-amine
SMILESCC/C(=C\c1nncn1C)C(C)CC(C)NC
InChIInChI=1S/C13H24N4/c1-6-12(10(2)7-11(3)14-4)8-13-16-15-9-17(13)5/h8-11,14H,6-7H2,1-5H3/b12-8+
InChIKeySSKAZXTXMNMIFN-XYOKQWHBSA-N
XLogP2.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,6-dimethyl-3-(1H-1,2,4-triazol-5-yl)cyclohex-2-en-1-amine
CID 117761755
4-[3-(1-Methyl-1,2,4-triazol-3-yl)but-3-enyl]piperidine
CID 135259110
3-[(E)-2,3-dimethyl-4-pyrrolidin-2-ylbut-1-enyl]-4-methyl-1,2,4-triazole;ethane
CID 143782084
(3E,6Z)-6-[4-[[[(Z)-hex-4-en-3-yl]amino]methyl]-1,2,4-triazol-3-yl]-N,N-dimethyl-3-pent-2-enyldeca-3,6-dien-1-amine
CID 146514435
(3E)-4-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]hexa-1,3,5-trien-2-amine
CID 166078807
(2Z,4E)-5-(4-cyclopropyl-1,2,4-triazol-3-yl)octa-2,4-dien-1-amine
CID 166691099
N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43702877
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43783874
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43783876
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 54895807
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 61003878
N-(cyclohex-3-en-1-ylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63329075

Frequently Asked Questions

What is the IUPAC name of (5E)-N,4-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylidene]heptan-2-amine?
The IUPAC name of (5E)-N,4-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylidene]heptan-2-amine (CID 143782091) is (5E)-N,4-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylidene]heptan-2-amine.
What is the SMILES notation for (5E)-N,4-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylidene]heptan-2-amine?
The canonical SMILES for (5E)-N,4-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylidene]heptan-2-amine is CC/C(=C\c1nncn1C)C(C)CC(C)NC.
What is the InChIKey of (5E)-N,4-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylidene]heptan-2-amine?
The InChIKey is SSKAZXTXMNMIFN-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H24N4/c1-6-12(10(2)7-11(3)14-4)8-13-16-15-9-17(13)5/h8-11,14H,6-7H2,1-5H3/b12-8+.
What are the key properties of (5E)-N,4-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylidene]heptan-2-amine?
(5E)-N,4-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylidene]heptan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-N,4-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylidene]heptan-2-amine is sourced from PubChem (CID 143782091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).